SCHEMBL915006

SCHEMBL915006

COc1ccc2c(c1)CCN(CN1CCc3cc(OC)ccc3C1)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.59
DRD5 P21918 3/20 0.59
DRD3 P35462 3/20 0.58
DRD2 P14416 2/20 0.58
PRMT5 O14744 1/20 0.56
KDM4E B2RXH2 1/20 0.55
SLC6A3 Q01959 3/20 0.53
DRD4 P21917 2/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
CHRM3 P20309 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR2C P28335 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
HTR2B P41595 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29651184 1.00 DRD1 (0.59) DRD1DRD5DRD3DRD2PRMT5
SCHEMBL6369681 0.89 HRH3 (0.61) DRD1DRD5DRD3DRD2PRMT5
SCHEMBL3246821 0.86 DRD1 (0.58) DRD1DRD5DRD3DRD2PRMT5
Hydrochloric Acid SCHEMBL5609445 0.86 DRD1 (0.55) DRD1DRD5DRD3DRD2PRMT5
SCHEMBL24507687 0.84 DRD1 (0.54) DRD1DRD5DRD3DRD2PRMT5
SCHEMBL3655159 0.84 HRH3 (0.61) DRD1DRD5DRD3DRD2PRMT5
SCHEMBL22099631 0.84 DRD1 (0.57) DRD1DRD5DRD3DRD2PRMT5
SCHEMBL22099626 0.82 SLC6A2 (0.55) DRD1DRD5DRD3DRD2SLC6A3
SCHEMBL3173969 0.82 ABCB1 (0.68) DRD1DRD5DRD3DRD2SLC6A3
SCHEMBL24110647 0.82 DRD1 (0.55) DRD1DRD5DRD3DRD2PRMT5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339896-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2023-10-26 US disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 WO disclosed
EP-2061763-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATES JANSSEN PHARMACEUTICA NV (BE) 2016-03-16 EP disclosed
EP-2061763-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATES JANSSEN PHARMACEUTICA NV (BE) 2016-03-16 EP disclosed
US-7872138-B2 Process for the preparation of substituted-1,2,3,4-tetrahydroisoquinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-01-18 US disclosed
US-7872138-B2 Process for the preparation of substituted-1,2,3,4-tetrahydroisoquinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-01-18 US disclosed
US-7872138-B2 Process for the preparation of substituted-1,2,3,4-tetrahydroisoquinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-01-18 US disclosed
WO-2008019356-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATES JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 WO disclosed
US-20080033177-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 US disclosed
US-20080033177-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 US disclosed
US-20080033177-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 DRD1 4829/4885DRD5 4827/4885DRD3 4849/4885
US-20080033177-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES CYP3A4, CYP4B1, CYP3A5 DRD1 79/4885DRD5 185/4885DRD3 154/4885
US-20230339896-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, MAPKAPK5, MLKL DRD1 4817/4885DRD5 4749/4885DRD3 4844/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.